2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide

C20H19FN4O — CID 126366968

IUPAC2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1cc(/C=N\NC(=O)CNc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H19FN4O/c1-2-11-25-14-15(18-5-3-4-6-19(18)25)12-23-24-20(26)13-22-17-9-7-16(21)8-10-17/h2-10,12,14,22H,1,11,13H2,(H,24,26)/b23-12-
InChIKeyRTBVUCQOINKBQM-FMCGGJTJSA-N
MW350.40 g/mol
LogP3.53
Rot. Bonds7

About 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide

2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide (PubChem CID 126366968) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
PubChem CID126366968
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1cc(/C=N\NC(=O)CNc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H19FN4O/c1-2-11-25-14-15(18-5-3-4-6-19(18)25)12-23-24-20(26)13-22-17-9-7-16(21)8-10-17/h2-10,12,14,22H,1,11,13H2,(H,24,26)/b23-12-
InChIKeyRTBVUCQOINKBQM-FMCGGJTJSA-N
XLogP3.53
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoroanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5416866
2-cyano-N-[(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 962771
2-anilino-N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126385953
2-(4-chloroanilino)-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126369473
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21370420
2-bromo-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 29146968
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 126182020
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 3654678
1-(2-methylphenyl)-3-[(1-prop-2-enylindol-3-yl)methylideneamino]urea
CID 4238174
2-[3-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 126249779
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-fluoroanilino)acetamide
CID 94836370

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide (CID 126366968) is 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide is C=CCn1cc(/C=N\NC(=O)CNc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The InChIKey is RTBVUCQOINKBQM-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-11-25-14-15(18-5-3-4-6-19(18)25)12-23-24-20(26)13-22-17-9-7-16(21)8-10-17/h2-10,12,14,22H,1,11,13H2,(H,24,26)/b23-12-.
What are the key properties of 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide has a molecular weight of 350.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 126366968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).